2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate

C8H12F3NO3 — CID 115621942

IUPAC2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate
SMILESO=C(NCC1(O)CCC1)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)5-15-6(13)12-4-7(14)2-1-3-7/h14H,1-5H2,(H,12,13)
InChIKeyBUWACBGCFUKIPG-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.19
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate

2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate (PubChem CID 115621942) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate
PubChem CID115621942
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate
SMILESO=C(NCC1(O)CCC1)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)5-15-6(13)12-4-7(14)2-1-3-7/h14H,1-5H2,(H,12,13)
InChIKeyBUWACBGCFUKIPG-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65173907
2,2,2-trifluoroethyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 80528058
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437572
1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol
CID 82722622
2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
CID 79811142
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid
CID 64673107
2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate
CID 115595059
2,2-dimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 115427379
2,2,2-trifluoroethyl N-cyclobutylcarbamate
CID 63716209
1-[(1-hydroxycyclobutyl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 111437559

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate (CID 115621942) is 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate is O=C(NCC1(O)CCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate?
The InChIKey is BUWACBGCFUKIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)5-15-6(13)12-4-7(14)2-1-3-7/h14H,1-5H2,(H,12,13).
What are the key properties of 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate has a molecular weight of 227.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate is sourced from PubChem (CID 115621942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).